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Title: Materials Data on Mn11Ge8 by Materials Project

Abstract

Mn11Ge8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are nine inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.42–2.66 Å. In the second Mn site, Mn is bonded to seven Ge atoms to form a mixture of distorted edge, face, and corner-sharing MnGe7 pentagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.49–2.71 Å. In the third Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.41–2.66 Å. In the fourth Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.49–2.55 Å. In the fifth Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.43–2.50 Å. In the sixth Mn site, Mn is bonded to seven Ge atoms to form a mixture of face and corner-sharing MnGe7 pentagonal bipyramids. There are a spread of Mn–Ge bond distances ranging frommore » 2.60–2.72 Å. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.43–2.82 Å. In the eighth Mn site, Mn is bonded to seven Ge atoms to form a mixture of distorted edge and corner-sharing MnGe7 pentagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.49–2.73 Å. In the ninth Mn site, Mn is bonded in a 4-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.42–2.85 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to seven Mn and two equivalent Ge atoms. There are one shorter (2.47 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to eight Mn atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-654223
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mn11Ge8; Ge-Mn
OSTI Identifier:
1281274
DOI:
10.17188/1281274

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mn11Ge8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281274.
Persson, Kristin, & Project, Materials. Materials Data on Mn11Ge8 by Materials Project. United States. doi:10.17188/1281274.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mn11Ge8 by Materials Project". United States. doi:10.17188/1281274. https://www.osti.gov/servlets/purl/1281274. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1281274,
title = {Materials Data on Mn11Ge8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mn11Ge8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are nine inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.42–2.66 Å. In the second Mn site, Mn is bonded to seven Ge atoms to form a mixture of distorted edge, face, and corner-sharing MnGe7 pentagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.49–2.71 Å. In the third Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.41–2.66 Å. In the fourth Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.49–2.55 Å. In the fifth Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.43–2.50 Å. In the sixth Mn site, Mn is bonded to seven Ge atoms to form a mixture of face and corner-sharing MnGe7 pentagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.60–2.72 Å. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.43–2.82 Å. In the eighth Mn site, Mn is bonded to seven Ge atoms to form a mixture of distorted edge and corner-sharing MnGe7 pentagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.49–2.73 Å. In the ninth Mn site, Mn is bonded in a 4-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.42–2.85 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to seven Mn and two equivalent Ge atoms. There are one shorter (2.47 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to eight Mn atoms.},
doi = {10.17188/1281274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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